| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 51.8 | Low | 75.4 | Confident | 222 Ų | 222 | 121.7 Ų | 121.7 | 100% | 1.094 | 63% | 0.626 | S | S | * | * | 0 | 99.6 | 0 | -68.2 | 155.9 | 78.1 | 0 | 0 | 105.6 | P3 | M1-P3 WeakPolarHBondContact O-CD 2.93Š| |||
| 2 | K | 64.7 | Low | 76 | Confident | 161 Ų | 161 | 119.8 Ų | 119.8 | 70% | 0.7 | 62% | 0.623 | S | S | * | * | 79 | 15.4 | 92.2 | -71.2 | 179.7 | 178.1 | 174.4 | 0 | 118.2 | |||||
| 3 | P | 71.3 | Confident | 76.3 | Confident | 91 Ų | 91 | 116.6 Ų | 116.6 | 59% | 0.591 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -76.8 | -35.3 | 175.5 | 31.5 | -36.3 | 0 | 0 | 0 | 112.6 | M1 L5 C6 F7 | M1-P3 WeakPolarHBondContact O-CD 2.93Å; P3-L5 PolarHBondContact O-N 3.05Å; P3-C6 PolarHBondContact O-N 3.32Å; P3-F7 PolarHBondContact O-N 3.46Å |
| 4 | T | 73.9 | Confident | 76.5 | Confident | 107 Ų | 107 | 114.1 Ų | 114.1 | 66% | 0.656 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.6 | -38.3 | -177.7 | 14.2 | 0 | 0 | 0 | 0 | 112.7 | F7 L8 | T4-F7 PolarHBondContact O-N 3.49Å; T4-L8 PolarHBondContact O-N 3.11Å; T4-L8 VanDerWaalsContact O-N 3.11Å |
| 5 | L | 77.9 | Confident | 76.3 | Confident | 99 Ų | 99 | 116.4 Ų | 116.4 | 52% | 0.518 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.6 | -44.7 | 175 | -90.7 | 147.2 | 0 | 0 | 0 | 111.8 | P3 F7 L8 F9 | P3-L5 PolarHBondContact O-N 3.05Å; L5-F7 VanDerWaalsContact C-N 3.33Å; L5-F7 PolarHBondContact O-N 3.32Å; L5-L8 PolarHBondContact O-N 3.01Å; L5-F9 HydrophobicContact CD2-CE2 4.26Å; L5-F9 WeakPolarHBondContact O-CD2 3.32Å; L5-F9 PolarHBondContact O-N 3.44Å |
| 6 | C | 80.2 | Confident | 75.7 | Confident | 79 Ų | 79 | 114.8 Ų | 114.8 | 53% | 0.534 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.6 | -41.2 | 176.3 | -84.5 | 0 | 0 | 0 | 0 | 112.3 | P3 L8 F9 I10 | P3-C6 PolarHBondContact O-N 3.32Å; C6-L8 VanDerWaalsContact C-N 3.35Å; C6-L8 PolarHBondContact O-N 3.48Å; C6-F9 PolarHBondContact O-N 3.29Å; C6-I10 WeakPolarHBondContact O-CG1 3.33Å; C6-I10 PolarHBondContact O-N 2.97Å |
| 7 | F | 79.9 | Confident | 75.2 | Confident | 142 Ų | 142 | 116.2 Ų | 116.2 | 62% | 0.623 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.2 | -41.8 | 178.1 | -125.2 | -84.6 | 0 | 0 | 0 | 112 | P3 T4 L5 I10 L11 | P3-F7 PolarHBondContact O-N 3.46Å; T4-F7 PolarHBondContact O-N 3.49Å; L5-F7 VanDerWaalsContact C-N 3.33Å; L5-F7 PolarHBondContact O-N 3.32Å; F7-I10 PolarHBondContact O-N 2.97Å; F7-L11 HydrophobicContact CD1-CD1 4.38Å; F7-L11 WeakPolarHBondContact O-CG 3.21Å; F7-L11 PolarHBondContact O-N 3.36Å |
| 8 | L | 82.5 | Confident | 74.7 | Confident | 107 Ų | 107 | 117.2 Ų | 117.2 | 56% | 0.56 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.3 | -44.1 | 173.8 | -90.4 | 155 | 0 | 0 | 0 | 112.2 | T4 L5 C6 I10 L11 V12 | T4-L8 PolarHBondContact O-N 3.11Å; T4-L8 VanDerWaalsContact O-N 3.11Å; L5-L8 PolarHBondContact O-N 3.01Å; C6-L8 VanDerWaalsContact C-N 3.35Å; C6-L8 PolarHBondContact O-N 3.48Å; L8-I10 PolarHBondContact O-N 2.9Å; L8-L11 PolarHBondContact O-N 2.96Å; L8-V12 WeakPolarHBondContact O-CB 3.22Å; L8-V12 VanDerWaalsContact O-CG2 3.3Å; L8-V12 WeakPolarHBondContact O-CG2 3.37Å; L8-V12 PolarHBondContact O-N 3.1Å |
| 9 | F | 81.7 | Confident | 73.9 | Confident | 139 Ų | 139 | 115 Ų | 115 | 61% | 0.61 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.6 | -43.7 | 175.9 | -86.7 | -71.5 | 0 | 0 | 0 | 112.1 | L5 C6 L11 V12 S13 | L5-F9 HydrophobicContact CD2-CE2 4.26Å; L5-F9 WeakPolarHBondContact O-CD2 3.32Å; L5-F9 PolarHBondContact O-N 3.44Å; C6-F9 PolarHBondContact O-N 3.29Å; F9-L11 PolarHBondContact O-N 3.35Å; F9-V12 PolarHBondContact O-N 2.91Å; F9-S13 WeakPolarHBondContact O-CB 3.3Å; F9-S13 PolarHBondContact O-N 3.5Å; F9-S13 PolarHBondContact O-OG 3.35Å; F9-S13 VanDerWaalsContact O-OG 3.1Å |
| 10 | I | 83 | Confident | 73.2 | Confident | 92 Ų | 92 | 114.1 Ų | 114.1 | 47% | 0.472 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.9 | -45.4 | 177.1 | -68.1 | 166.8 | 0 | 0 | 0 | 110.6 | C6 F7 L8 V12 S13 L14 | C6-I10 WeakPolarHBondContact O-CG1 3.33Å; C6-I10 PolarHBondContact O-N 2.97Å; F7-I10 PolarHBondContact O-N 2.97Å; L8-I10 PolarHBondContact O-N 2.9Å; I10-V12 PolarHBondContact O-N 3.31Å; I10-S13 PolarHBondContact O-N 3.47Å; I10-L14 HydrophobicContact CG2-CD1 3.6Å; I10-L14 HydrophobicContact CG2-CG 4.23Å; I10-L14 WeakPolarHBondContact O-CB 3.37Å; I10-L14 WeakPolarHBondContact O-CG 3.42Å; I10-L14 PolarHBondContact O-N 3.5Å |
| 11 | L | 82.2 | Confident | 72.3 | Confident | 100 Ų | 100 | 112.4 Ų | 112.4 | 52% | 0.524 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -62 | -43 | 177.8 | -72.6 | 170.2 | 0 | 0 | 0 | 112.1 | F7 L8 F9 L14 F15 | F7-L11 HydrophobicContact CD1-CD1 4.38Å; F7-L11 WeakPolarHBondContact O-CG 3.21Å; F7-L11 PolarHBondContact O-N 3.36Å; L8-L11 PolarHBondContact O-N 2.96Å; F9-L11 PolarHBondContact O-N 3.35Å; L11-L14 PolarHBondContact O-N 3.14Å; L11-F15 PolarHBondContact O-N 2.94Å |
| 12 | V | 82.7 | Confident | 72.4 | Confident | 98 Ų | 98 | 109 Ų | 109 | 59% | 0.594 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.3 | -40 | 177.3 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | L8 F9 I10 F15 P16 | L8-V12 WeakPolarHBondContact O-CB 3.22Å; L8-V12 VanDerWaalsContact O-CG2 3.3Å; L8-V12 WeakPolarHBondContact O-CG2 3.37Å; L8-V12 PolarHBondContact O-N 3.1Å; F9-V12 PolarHBondContact O-N 2.91Å; I10-V12 PolarHBondContact O-N 3.31Å; V12-F15 PolarHBondContact O-N 3.25Å; V12-P16 WeakPolarHBondContact O-CD 3.45Å |
| 13 | S | 79.5 | Confident | 71.8 | Confident | 79 Ų | 79 | 105.1 Ų | 105.1 | 55% | 0.552 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.1 | -29.9 | 176.7 | -63.8 | 0 | 0 | 0 | 0 | 113.5 | F9 I10 P16 | F9-S13 WeakPolarHBondContact O-CB 3.3Å; F9-S13 PolarHBondContact O-N 3.5Å; F9-S13 PolarHBondContact O-OG 3.35Å; F9-S13 VanDerWaalsContact O-OG 3.1Å; I10-S13 PolarHBondContact O-N 3.47Å; S13-P16 WeakPolarHBondContact O-CD 3.25Å; S13-P16 WeakPolarHBondContact O-CG 3.49Å |
| 14 | L | 79.8 | Confident | 70.7 | Confident | 81 Ų | 81 | 109 Ų | 109 | 42% | 0.424 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -82 | -22.6 | 176 | -69.6 | 172.8 | 0 | 0 | 0 | 112.9 | I10 L11 L17 I18 | I10-L14 HydrophobicContact CG2-CD1 3.6Å; I10-L14 HydrophobicContact CG2-CG 4.23Å; I10-L14 WeakPolarHBondContact O-CB 3.37Å; I10-L14 WeakPolarHBondContact O-CG 3.42Å; I10-L14 PolarHBondContact O-N 3.5Å; L11-L14 PolarHBondContact O-N 3.14Å; L14-L17 HydrophobicContact CD2-CD1 4.07Å; L14-L17 WeakPolarHBondContact O-CB 3.43Å; L14-L17 PolarHBondContact O-N 3Å; L14-I18 PolarHBondContact O-N 3.37Å |
| 15 | F | 72.9 | Confident | 69.8 | Low | 149 Ų | 149 | 109.2 Ų | 109.2 | 65% | 0.654 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -54.2 | -47.3 | 178.6 | -148.3 | -99.7 | 0 | 0 | 0 | 113.5 | L11 V12 L17 I18 V19 | L11-F15 PolarHBondContact O-N 2.94Å; V12-F15 PolarHBondContact O-N 3.25Å; F15-L17 PolarHBondContact O-N 3.23Å; F15-I18 PolarHBondContact O-N 3.2Å; F15-I18 VanDerWaalsContact O-N 3.14Å; F15-V19 PolarHBondContact O-N 3.49Å |
| 16 | P | 67.8 | Low | 69.7 | Low | 90 Ų | 90 | 106 Ų | 106 | 58% | 0.584 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.9 | -16.9 | 176.1 | 21.8 | -29.9 | 0 | 0 | 0 | 114.5 | V12 S13 | V12-P16 WeakPolarHBondContact O-CD 3.45Å; S13-P16 WeakPolarHBondContact O-CD 3.25Å; S13-P16 WeakPolarHBondContact O-CG 3.49Å |
| 17 | L | 66.9 | Low | 69.9 | Low | 140 Ų | 140 | 110.2 Ų | 110.2 | 73% | 0.733 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -82 | -22.2 | 173.8 | -81.8 | 146.1 | 0 | 0 | 0 | 113 | L14 F15 | L14-L17 HydrophobicContact CD2-CD1 4.07Å; L14-L17 WeakPolarHBondContact O-CB 3.43Å; L14-L17 PolarHBondContact O-N 3Å; F15-L17 PolarHBondContact O-N 3.23Å |
| 18 | I | 65.2 | Low | 70.3 | Confident | 134 Ų | 134 | 110.2 Ų | 110.2 | 69% | 0.687 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -90.8 | -21.4 | 177.9 | -57.7 | 166.5 | 0 | 0 | 0 | 110.8 | L14 F15 P20 | L14-I18 PolarHBondContact O-N 3.37Å; F15-I18 PolarHBondContact O-N 3.2Å; F15-I18 VanDerWaalsContact O-N 3.14Å; I18-P20 VanDerWaalsContact O-CD 3.25Å; I18-P20 WeakPolarHBondContact O-CD 3.11Å |
| 19 | V | 60.3 | Low | 70.5 | Confident | 75 Ų | 75 | 107.3 Ų | 107.3 | 46% | 0.455 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -67.2 | 114.9 | 168.5 | 179.8 | 0 | 0 | 0 | 0 | 107.4 | F15 G21 | F15-V19 PolarHBondContact O-N 3.49Å; V19-G21 PolarHBondContact O-N 2.73Å |
| 20 | P | 59 | Low | 70.9 | Confident | 96 Ų | 96 | 104.7 Ų | 104.7 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | trans | -59.5 | 116.7 | 173 | -1 | 11.9 | 0 | 0 | 0 | 106.7 | I18 N22 A23 | I18-P20 VanDerWaalsContact O-CD 3.25Å; I18-P20 WeakPolarHBondContact O-CD 3.11Å; P20-N22 PolarHBondContact O-N 2.97Å; P20-A23 PolarHBondContact O-N 3.22Å | ||
| 21 | G | 54.6 | Low | 71.4 | Confident | 80 Ų | 80 | 103 Ų | 103 | 83% | 0.825 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 18.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | V19 | V19-G21 PolarHBondContact O-N 2.73Š|
| 22 | N | 54.2 | Low | 72 | Confident | 149 Ų | 149 | 102.3 Ų | 102.3 | 80% | 0.797 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127 | 20.5 | 178.2 | -76.9 | -6.5 | 0 | 0 | 0 | 112.8 | P20 Q24 | P20-N22 PolarHBondContact O-N 2.97Å; N22-Q24 PolarHBondContact O-N 2.87Å |
| 23 | A | 52 | Low | 72.5 | Confident | 80 Ų | 80 | 102.6 Ų | 102.6 | 66% | 0.661 | 58% | 0.582 | S | S | * | * | trans | -78.8 | 8.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114 | P20 C25 | P20-A23 PolarHBondContact O-N 3.22Å; A23-C25 PolarHBondContact O-N 2.92Å | ||
| 24 | Q | 49.1 | Very low | 73.2 | Confident | 173 Ų | 173 | 106 Ų | 106 | 81% | 0.808 | 58% | 0.583 | S | S | * | * | trans | -71.5 | 72.4 | 148 | -85.3 | 178.8 | -28.6 | 0 | 0 | 108.2 | N22 S26 | N22-Q24 PolarHBondContact O-N 2.87Å; Q24-S26 PolarHBondContact O-N 3.33Å | ||
| 25 | C | 55.5 | Low | 74 | Confident | 112 Ų | 112 | 106.2 Ų | 106.2 | 76% | 0.757 | 58% | 0.583 | S | S | * | * | -61.9 | 81.3 | 127.4 | -74.1 | 0 | 0 | 0 | 0 | 104.2 | A23 S29 | A23-C25 PolarHBondContact O-N 2.92Å; C25-S29 VanDerWaalsContact C-OG 3.27Å; C25-S29 WeakPolarHBondContact CA-OG 3.38Å | |||
| 26 | S | 74.2 | Confident | 75.2 | Confident | 32 Ų | 32 | 106.1 Ų | 106.1 | 22% | 0.224 | 58% | 0.583 | C | S | . | * | trans | -56.2 | 145.5 | -179.5 | 62.5 | 0 | 0 | 0 | 0 | 106.7 | Q24 E28 S29 L30 | Q24-S26 PolarHBondContact O-N 3.33Å; S26-E28 PolarHBondContact O-N 2.95Å; S26-S29 PolarHBondContact N-OG 3.45Å; S26-S29 VanDerWaalsContact N-OG 3.14Å; S26-S29 WeakPolarHBondContact O-CA 3.34Å; S26-S29 WeakPolarHBondContact O-CB 3.45Å; S26-S29 PolarHBondContact O-N 2.89Å; S26-S29 PolarHBondContact O-OG 3.39Å; S26-S29 PolarHBondContact OG-N 2.96Å; S26-L30 PolarHBondContact O-N 3.28Å | ||
| 27 | F | 84 | Confident | 76.5 | Confident | 167 Ų | 167 | 104.5 Ų | 104.5 | 73% | 0.732 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -48.2 | -33.8 | 172.2 | 176.1 | -99.7 | 0 | 0 | 0 | 111.2 | L30 V31 | F27-L30 WeakPolarHBondContact O-CB 3.38Å; F27-L30 PolarHBondContact O-N 3.33Å; F27-V31 HydrophobicContact CD1-CG2 4.15Å; F27-V31 HydrophobicContact CE1-CG2 3.79Å; F27-V31 HydrophobicContact CZ-CG2 4Å; F27-V31 VanDerWaalsContact O-CG2 3.32Å; F27-V31 WeakPolarHBondContact O-CG2 3.47Å; F27-V31 PolarHBondContact O-N 2.67Å |
| 28 | E | 89 | Confident | 77.9 | Confident | 141 Ų | 141 | 100.8 Ų | 100.8 | 66% | 0.659 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.4 | -48.1 | 171.1 | -57.7 | -179.8 | 159.7 | 0 | 0 | 113.3 | S26 L30 V31 D32 | S26-E28 PolarHBondContact O-N 2.95Å; E28-L30 PolarHBondContact O-N 3.21Å; E28-V31 PolarHBondContact O-N 2.8Å; E28-V31 VanDerWaalsContact O-N 3.11Å; E28-D32 WeakPolarHBondContact O-CB 3.48Å; E28-D32 PolarHBondContact O-N 3.32Å |
| 29 | S | 88 | Confident | 79.4 | Confident | 46 Ų | 46 | 99.4 Ų | 99.4 | 32% | 0.322 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.9 | -35.3 | 177 | 70.4 | 0 | 0 | 0 | 0 | 112.9 | C25 S26 Q33 | C25-S29 VanDerWaalsContact C-OG 3.27Å; C25-S29 WeakPolarHBondContact CA-OG 3.38Å; S26-S29 PolarHBondContact N-OG 3.45Å; S26-S29 VanDerWaalsContact N-OG 3.14Å; S26-S29 WeakPolarHBondContact O-CA 3.34Å; S26-S29 WeakPolarHBondContact O-CB 3.45Å; S26-S29 PolarHBondContact O-N 2.89Å; S26-S29 PolarHBondContact O-OG 3.39Å; S26-S29 PolarHBondContact OG-N 2.96Å; S29-Q33 WeakPolarHBondContact O-CB 3.33Å; S29-Q33 PolarHBondContact O-N 3.07Å |
| 30 | L | 89.5 | Confident | 81 | Confident | 85 Ų | 85 | 100.5 Ų | 100.5 | 45% | 0.445 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.5 | -44.7 | 174.4 | 178.6 | 66.3 | 0 | 0 | 0 | 111.1 | S26 F27 E28 Q33 R34 | S26-L30 PolarHBondContact O-N 3.28Å; F27-L30 WeakPolarHBondContact O-CB 3.38Å; F27-L30 PolarHBondContact O-N 3.33Å; E28-L30 PolarHBondContact O-N 3.21Å; L30-Q33 PolarHBondContact O-N 2.83Å; L30-R34 WeakPolarHBondContact O-CG 3.35Å; L30-R34 PolarHBondContact O-N 3.43Å |
| 31 | V | 93.7 | Very high | 82.7 | Confident | 55 Ų | 55 | 105.4 Ų | 105.4 | 33% | 0.333 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.6 | -46.5 | 175.7 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | F27 E28 Q33 R34 I35 | F27-V31 HydrophobicContact CD1-CG2 4.15Å; F27-V31 HydrophobicContact CE1-CG2 3.79Å; F27-V31 HydrophobicContact CZ-CG2 4Å; F27-V31 VanDerWaalsContact O-CG2 3.32Å; F27-V31 WeakPolarHBondContact O-CG2 3.47Å; F27-V31 PolarHBondContact O-N 2.67Å; E28-V31 PolarHBondContact O-N 2.8Å; E28-V31 VanDerWaalsContact O-N 3.11Å; V31-Q33 PolarHBondContact O-N 3.02Å; V31-R34 PolarHBondContact O-N 3.32Å; V31-I35 HydrophobicContact CG1-CD1 3.76Å; V31-I35 HydrophobicContact CG1-CG1 4.42Å; V31-I35 WeakPolarHBondContact O-CG1 3.49Å; V31-I35 PolarHBondContact O-N 3.1Å |
| 32 | D | 94.3 | Very high | 84.6 | Confident | 86 Ų | 86 | 107.8 Ų | 107.8 | 46% | 0.46 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.5 | -42.2 | 177.7 | -77.3 | -10.2 | 0 | 0 | 0 | 112.2 | E28 R34 I35 K36 | E28-D32 WeakPolarHBondContact O-CB 3.48Å; E28-D32 PolarHBondContact O-N 3.32Å; D32-R34 VanDerWaalsContact C-N 3.34Å; D32-I35 PolarHBondContact O-N 3.14Å; D32-K36 WeakPolarHBondContact O-CB 3.34Å; D32-K36 WeakPolarHBondContact O-CG 3.35Å; D32-K36 PolarHBondContact O-N 2.94Å |
| 33 | Q | 93.5 | Very high | 86.5 | Confident | 104 Ų | 104 | 108.4 Ų | 108.4 | 49% | 0.486 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.2 | -44.5 | 175.3 | -178.1 | 179.1 | -16.9 | 0 | 0 | 110.9 | S29 L30 V31 K36 E37 | S29-Q33 WeakPolarHBondContact O-CB 3.33Å; S29-Q33 PolarHBondContact O-N 3.07Å; L30-Q33 PolarHBondContact O-N 2.83Å; V31-Q33 PolarHBondContact O-N 3.02Å; Q33-K36 PolarHBondContact O-N 3.18Å; Q33-E37 HydrophobicContact CG-CG 4.48Å; Q33-E37 PolarHBondContact NE2-OE1 2.98Å; Q33-E37 WeakPolarHBondContact O-CB 3.44Å; Q33-E37 WeakPolarHBondContact O-CG 3.45Å; Q33-E37 PolarHBondContact O-N 3.02Å |
| 34 | R | 94.7 | Very high | 88.4 | Confident | 151 Ų | 151 | 109.2 Ų | 109.2 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.4 | -38.8 | 177.8 | -68.8 | -57.1 | -171.5 | -171 | 2.7 | 112.7 | L30 V31 D32 E37 A38 | L30-R34 WeakPolarHBondContact O-CG 3.35Å; L30-R34 PolarHBondContact O-N 3.43Å; V31-R34 PolarHBondContact O-N 3.32Å; D32-R34 VanDerWaalsContact C-N 3.34Å; R34-E37 IonicContact CZ-OE2 3.8Å; R34-E37 IonicContact NH1-OE2 2.8Å; R34-E37 PolarHBondContact NH1-OE2 3.21Å; R34-E37 PolarHBondContact O-N 3.48Å; R34-A38 WeakPolarHBondContact O-CB 3.45Å; R34-A38 PolarHBondContact O-N 3.48Å |
| 35 | I | 96.5 | Very high | 90.6 | Very high | 85 Ų | 85 | 108 Ų | 108 | 44% | 0.436 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 174 | -68.7 | 167.6 | 0 | 0 | 0 | 110.3 | V31 D32 E37 A38 L39 | V31-I35 HydrophobicContact CG1-CD1 3.76Å; V31-I35 HydrophobicContact CG1-CG1 4.42Å; V31-I35 WeakPolarHBondContact O-CG1 3.49Å; V31-I35 PolarHBondContact O-N 3.1Å; D32-I35 PolarHBondContact O-N 3.14Å; I35-E37 PolarHBondContact O-N 3.46Å; I35-A38 PolarHBondContact O-N 2.91Å; I35-L39 HydrophobicContact CG2-CD1 3.69Å; I35-L39 HydrophobicContact CG2-CG 4.3Å; I35-L39 WeakPolarHBondContact O-CB 3.33Å; I35-L39 WeakPolarHBondContact O-CG 3.32Å; I35-L39 PolarHBondContact O-N 3.38Å |
| 36 | K | 96.5 | Very high | 92.6 | Very high | 147 Ų | 147 | 106.9 Ų | 106.9 | 64% | 0.639 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.4 | -41.6 | 177.4 | -75.4 | 173.9 | -178.4 | 171.8 | 0 | 112.5 | D32 Q33 A38 L39 S40 | D32-K36 WeakPolarHBondContact O-CB 3.34Å; D32-K36 WeakPolarHBondContact O-CG 3.35Å; D32-K36 PolarHBondContact O-N 2.94Å; Q33-K36 PolarHBondContact O-N 3.18Å; K36-A38 VanDerWaalsContact C-N 3.33Å; K36-L39 PolarHBondContact O-N 3.46Å; K36-S40 WeakPolarHBondContact O-CB 3.46Å; K36-S40 PolarHBondContact O-N 3.11Å; K36-S40 PolarHBondContact O-OG 3.33Å |
| 37 | E | 96.1 | Very high | 93.7 | Very high | 56 Ų | 56 | 111.3 Ų | 111.3 | 26% | 0.262 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.9 | -36.5 | 175.5 | -76.9 | 173.3 | -171.7 | 0 | 0 | 112.4 | Q33 R34 I35 S40 R41 | Q33-E37 HydrophobicContact CG-CG 4.48Å; Q33-E37 PolarHBondContact NE2-OE1 2.98Å; Q33-E37 WeakPolarHBondContact O-CB 3.44Å; Q33-E37 WeakPolarHBondContact O-CG 3.45Å; Q33-E37 PolarHBondContact O-N 3.02Å; R34-E37 IonicContact CZ-OE2 3.8Å; R34-E37 IonicContact NH1-OE2 2.8Å; R34-E37 PolarHBondContact NH1-OE2 3.21Å; R34-E37 PolarHBondContact O-N 3.48Å; I35-E37 PolarHBondContact O-N 3.46Å; E37-S40 PolarHBondContact O-OG 2.91Å; E37-S40 VanDerWaalsContact O-OG 3.1Å; E37-R41 WeakPolarHBondContact O-CG 3.46Å |
| 38 | A | 95.8 | Very high | 94.4 | Very high | 63 Ų | 63 | 105.8 Ų | 105.8 | 52% | 0.521 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71.5 | -45.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R34 I35 K36 S40 R41 Q42 | R34-A38 WeakPolarHBondContact O-CB 3.45Å; R34-A38 PolarHBondContact O-N 3.48Å; I35-A38 PolarHBondContact O-N 2.91Å; K36-A38 VanDerWaalsContact C-N 3.33Å; A38-S40 VanDerWaalsContact C-N 3.34Å; A38-S40 PolarHBondContact O-N 3.3Å; A38-R41 PolarHBondContact O-N 3.25Å; A38-Q42 PolarHBondContact O-N 3.26Å |
| 39 | L | 96.4 | Very high | 94.9 | Very high | 105 Ų | 105 | 101.3 Ų | 101.3 | 55% | 0.55 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.1 | -35.2 | 178.6 | -71.5 | 169.8 | 0 | 0 | 0 | 112.4 | I35 K36 R41 Q42 | I35-L39 HydrophobicContact CG2-CD1 3.69Å; I35-L39 HydrophobicContact CG2-CG 4.3Å; I35-L39 WeakPolarHBondContact O-CB 3.33Å; I35-L39 WeakPolarHBondContact O-CG 3.32Å; I35-L39 PolarHBondContact O-N 3.38Å; K36-L39 PolarHBondContact O-N 3.46Å; L39-R41 VanDerWaalsContact C-N 3.28Å; L39-R41 PolarHBondContact O-N 3Å; L39-Q42 WeakPolarHBondContact O-CB 3.33Å; L39-Q42 PolarHBondContact O-N 2.8Å |
| 40 | S | 95.4 | Very high | 95.4 | Very high | 97 Ų | 97 | 102.3 Ų | 102.3 | 68% | 0.678 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -71.8 | -21.8 | 179.1 | 67.6 | 0 | 0 | 0 | 0 | 113.8 | K36 E37 A38 | K36-S40 WeakPolarHBondContact O-CB 3.46Å; K36-S40 PolarHBondContact O-N 3.11Å; K36-S40 PolarHBondContact O-OG 3.33Å; E37-S40 PolarHBondContact O-OG 2.91Å; E37-S40 VanDerWaalsContact O-OG 3.1Å; A38-S40 VanDerWaalsContact C-N 3.34Å; A38-S40 PolarHBondContact O-N 3.3Å |
| 41 | R | 94.9 | Very high | 95.8 | Very high | 199 Ų | 199 | 101 Ų | 101 | 75% | 0.751 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -10.3 | 173.8 | -66 | 176.3 | -171.3 | -155.7 | 2.5 | 113 | E37 A38 L39 E43 | E37-R41 WeakPolarHBondContact O-CG 3.46Å; A38-R41 PolarHBondContact O-N 3.25Å; L39-R41 VanDerWaalsContact C-N 3.28Å; L39-R41 PolarHBondContact O-N 3Å; R41-E43 PolarHBondContact O-N 2.89Å |
| 42 | Q | 93.7 | Very high | 96 | Very high | 130 Ų | 130 | 100.5 Ų | 100.5 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -75.2 | 116 | 177.9 | -175.7 | 176.6 | -7.2 | 0 | 0 | 108.9 | A38 L39 | A38-Q42 PolarHBondContact O-N 3.26Å; L39-Q42 WeakPolarHBondContact O-CB 3.33Å; L39-Q42 PolarHBondContact O-N 2.8Å |
| 43 | E | 93 | Very high | 96.2 | Very high | 163 Ų | 163 | 100.6 Ų | 100.6 | 76% | 0.762 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 131.7 | 172.9 | -69.6 | -61.6 | 146.4 | 0 | 0 | 110 | R41 | R41-E43 PolarHBondContact O-N 2.89Š|
| 44 | P | 93.4 | Very high | 96.5 | Very high | 97 Ų | 97 | 98.3 Ų | 98.3 | 63% | 0.63 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 145.2 | 178.1 | 28.4 | -33.9 | 0 | 0 | 0 | 110 | ||
| 45 | K | 94.9 | Very high | 96.7 | Very high | 147 Ų | 147 | 96 Ų | 96 | 64% | 0.639 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 140.9 | 171.6 | -68.3 | -171.3 | 178.2 | -175.7 | 0 | 110.1 | M104 A105 | K45-M104 HydrophobicContact CB-CE 3.8Å; K45-M104 HydrophobicContact CD-CB 4.42Å; K45-A105 CarbonylContact C-O 3.56Å; K45-A105 WeakPolarHBondContact CA-O 3.12Å |
| 46 | T | 97.3 | Very high | 96.7 | Very high | 88 Ų | 88 | 93.3 Ų | 93.3 | 54% | 0.54 | 52% | 0.52 | S | S | . | . | trans | -110.6 | 163.1 | -179.7 | 65.1 | 0 | 0 | 0 | 0 | 110.6 | M104 A105 | T46-M104 CarbonylContact O-C 3.54Å; T46-M104 WeakPolarHBondContact O-CA 3.32Å; T46-A105 PolarHBondContact N-O 3.31Å; T46-A105 PolarHBondContact O-N 2.85Å; T46-A105 PolarHBondContact OG1-O 3.48Å | ||
| 47 | I | 98 | Very high | 96.8 | Very high | 125 Ų | 125 | 90.7 Ų | 90.7 | 64% | 0.641 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 123.6 | 171.9 | -61.3 | 172 | 0 | 0 | 0 | 108.1 | C102 M104 | I47-C102 HydrophobicContact CG2-CB 4.25Å; I47-M104 HydrophobicContact CG1-SD 3.74Å |
| 48 | S | 98.1 | Very high | 96.9 | Very high | 52 Ų | 52 | 92 Ų | 92 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 126.9 | 171.9 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | C102 R103 | S48-C102 CarbonylContact O-C 3.54Å; S48-C102 VanDerWaalsContact O-CA 3.29Å; S48-C102 WeakPolarHBondContact O-CA 3Å; S48-R103 PolarHBondContact N-O 2.79Å; S48-R103 PolarHBondContact O-N 2.84Å |
| 49 | C | 98.5 | Very high | 97.1 | Very high | 47 Ų | 47 | 89 Ų | 89 | 32% | 0.318 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 135.6 | -178 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | R100 C101 C102 | C49-R100 PolarHBondContact O-NH2 3.1Å; C49-C101 CarbonylContact C-O 3.56Å; C49-C101 VanDerWaalsContact CA-O 3.23Å; C49-C101 WeakPolarHBondContact CA-O 3.48Å; C49-C102 HydrophobicContact CB-CB 4.14Å; C49-C102 WeakPolarHBondContact CB-SG 3.26Å; C49-C102 WeakPolarHBondContact SG-CB 3.4Å; C49-C102 CovalentContact SG-SG 2.04Å; C49-C102 PolarHBondContact SG-SG 2.87Å |
| 50 | T | 98.5 | Very high | 97.2 | Very high | 66 Ų | 66 | 86.8 Ų | 86.8 | 41% | 0.405 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 164.6 | 172.9 | -169.9 | 0 | 0 | 0 | 0 | 110.1 | M65 C101 | T50-M65 HydrophobicContact CG2-CE 4.27Å; T50-M65 HydrophobicContact CG2-SD 3.99Å; T50-C101 HydrophobicContact CG2-CB 4.2Å; T50-C101 PolarHBondContact N-O 3.18Å; T50-C101 PolarHBondContact O-N 2.75Å; T50-C101 VanDerWaalsContact O-O 3.14Å |
| 51 | S | 98.7 | Very high | 97.4 | Very high | 58 Ų | 58 | 82.5 Ų | 82.5 | 41% | 0.406 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.3 | 173.5 | -62.2 | 0 | 0 | 0 | 0 | 109.6 | A99 R100 | S51-A99 CarbonylContact C-O 3.58Å; S51-A99 VanDerWaalsContact CA-O 3.31Å; S51-A99 WeakPolarHBondContact CA-O 3.37Å; S51-R100 VanDerWaalsContact OG-CD 3.31Å; S51-R100 WeakPolarHBondContact OG-CD 3.07Å; S51-R100 PolarHBondContact OG-NH1 2.85Å |
| 52 | V | 98.7 | Very high | 97.5 | Very high | 45 Ų | 45 | 76.2 Ų | 76.2 | 27% | 0.273 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 116.7 | 171.8 | 179.2 | 0 | 0 | 0 | 0 | 108.1 | S60 S98 A99 | V52-S60 WeakPolarHBondContact CG1-O 3.06Å; V52-S98 CarbonylContact O-C 3.53Å; V52-S98 VanDerWaalsContact O-CA 3.29Å; V52-S98 WeakPolarHBondContact O-CA 2.98Å; V52-S98 PolarHBondContact O-OG 2.02Å; V52-A99 PolarHBondContact N-O 2.73Å; V52-A99 PolarHBondContact O-N 2.87Å |
| 53 | T | 98.7 | Very high | 97.7 | Very high | 87 Ų | 87 | 75.2 Ų | 75.2 | 53% | 0.534 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 138.2 | 178.7 | -51.5 | 0 | 0 | 0 | 0 | 109.6 | W96 A97 S98 | T53-W96 HydrophobicContact CG2-CB 4.33Å; T53-W96 HydrophobicContact CG2-CD2 4.35Å; T53-W96 HydrophobicContact CG2-CE3 3.91Å; T53-A97 WeakPolarHBondContact CA-O 3.48Å; T53-A97 WeakPolarHBondContact CG2-O 3.23Å; T53-S98 PolarHBondContact OG1-OG 3.42Å; T53-S98 VanDerWaalsContact OG1-OG 3.04Å |
| 54 | S | 98.7 | Very high | 97.9 | Very high | 56 Ų | 56 | 70.9 Ų | 70.9 | 39% | 0.392 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 150.7 | 177.9 | 176.1 | 0 | 0 | 0 | 0 | 110.1 | L58 W96 A97 | S54-L58 VanDerWaalsContact CB-O 3.32Å; S54-L58 WeakPolarHBondContact CB-O 3.49Å; S54-L58 PolarHBondContact OG-O 2.79Å; S54-W96 WeakPolarHBondContact O-CA 3.11Å; S54-A97 PolarHBondContact N-O 3.49Å; S54-A97 PolarHBondContact O-N 2.73Å |
| 55 | S | 98.4 | Very high | 98.1 | Very high | 104 Ų | 104 | 67.9 Ų | 67.9 | 73% | 0.727 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 148.1 | 172.6 | -53.5 | 0 | 0 | 0 | 0 | 111 | ||
| 56 | G | 97.8 | Very high | 98.2 | Very high | 27 Ų | 27 | 65.2 Ų | 65.2 | 28% | 0.278 | 42% | 0.424 | S | S | . | . | S | Bend | trans | 82.6 | -150.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | M94 D95 W96 A97 | G56-M94 VanDerWaalsContact O-CG 3.26Å; G56-M94 WeakPolarHBondContact O-CG 3.44Å; G56-D95 PolarHBondContact N-O 3.07Å; G56-W96 CarbonylContact O-C 3.15Å; G56-W96 WeakPolarHBondContact O-CA 2.99Å; G56-A97 PolarHBondContact O-N 3Å; G56-A97 VanDerWaalsContact O-N 3.13Å |
| 57 | R | 98.4 | Very high | 98.3 | Very high | 93 Ų | 93 | 61.8 Ų | 61.8 | 35% | 0.351 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -93.9 | -10.5 | -168.4 | -66.5 | 170 | 175.1 | -101.1 | -0.7 | 114.6 | H88 C89 Q90 C91 S92 M94 | R57-H88 CarbonylContact O-C 3.56Å; R57-H88 WeakPolarHBondContact O-CA 3.48Å; R57-C89 PolarHBondContact NH1-O 3.31Å; R57-C89 PolarHBondContact O-N 3.05Å; R57-Q90 PolarHBondContact NH1-O 2.02Å; R57-C91 PolarHBondContact NH1-O 2.78Å; R57-C91 PolarHBondContact NH2-O 2.75Å; R57-S92 PolarHBondContact NH2-O 2.93Å; R57-M94 HydrophobicContact CG-CB 3.7Å; R57-M94 HydrophobicContact CG-CG 4.15Å |
| 58 | L | 98.7 | Very high | 98.3 | Very high | 82 Ų | 82 | 59.7 Ų | 59.7 | 43% | 0.429 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135.2 | -168.8 | -61.5 | 178.1 | 0 | 0 | 0 | 110.8 | S54 T86 C87 H88 | S54-L58 VanDerWaalsContact CB-O 3.32Å; S54-L58 WeakPolarHBondContact CB-O 3.49Å; S54-L58 PolarHBondContact OG-O 2.79Å; L58-T86 HydrophobicContact CB-CG2 4.26Å; L58-T86 HydrophobicContact CD2-CG2 4.03Å; L58-C87 VanDerWaalsContact CA-O 3.3Å; L58-C87 WeakPolarHBondContact CA-O 3.33Å; L58-H88 HydrophobicContact CD2-CB 3.74Å |
| 59 | A | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 58 Ų | 58 | 2% | 0.017 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 124.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | T86 C87 A97 A99 | A59-T86 CarbonylContact O-C 3.55Å; A59-T86 WeakPolarHBondContact O-CA 3.29Å; A59-C87 PolarHBondContact N-O 3.33Å; A59-C87 PolarHBondContact O-N 2.02Å; A59-A97 HydrophobicContact CB-CB 4.05Å; A59-A97 WeakPolarHBondContact CB-O 2.99Å; A59-A99 HydrophobicContact CB-CB 4.1Å; A59-A99 WeakPolarHBondContact O-CB 3.38Å |
| 60 | S | 98.8 | Very high | 98.3 | Very high | 57 Ų | 57 | 56.6 Ų | 56.6 | 40% | 0.399 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 136.4 | -173.9 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | V52 N85 T86 | V52-S60 WeakPolarHBondContact CG1-O 3.06Å; S60-N85 WeakPolarHBondContact CA-O 3.48Å; S60-T86 WeakPolarHBondContact CB-OG1 2.99Å; S60-T86 WeakPolarHBondContact OG-CB 3.28Å; S60-T86 VanDerWaalsContact OG-CG2 3.28Å; S60-T86 WeakPolarHBondContact OG-CG2 3.48Å; S60-T86 PolarHBondContact OG-OG1 2.76Å |
| 61 | C | 98.7 | Very high | 98.3 | Very high | 7 Ų | 7 | 55.6 Ų | 55.6 | 5% | 0.047 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -74 | 147.9 | 170.1 | -69 | 0 | 0 | 0 | 0 | 111.2 | M65 V67 N85 C101 | C61-M65 HydrophobicContact CB-CB 4.29Å; C61-V67 HydrophobicContact CB-CG2 4.16Å; C61-V67 WeakPolarHBondContact SG-CG2 3.36Å; C61-N85 PolarHBondContact N-O 2.04Å; C61-C101 WeakPolarHBondContact CA-SG 3.5Å; C61-C101 HydrophobicContact CB-CB 3.72Å; C61-C101 WeakPolarHBondContact CB-SG 3Å; C61-C101 WeakPolarHBondContact SG-CA 3.32Å; C61-C101 WeakPolarHBondContact SG-CB 3.28Å; C61-C101 CovalentContact SG-SG 2.02Å; C61-C101 PolarHBondContact SG-SG 3.47Å |
| 62 | P | 98.2 | Very high | 98.3 | Very high | 68 Ų | 68 | 53.3 Ų | 53.3 | 44% | 0.442 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 154.1 | 171.9 | -20.2 | 33.1 | 0 | 0 | 0 | 111.4 | G64 M65 | P62-G64 PolarHBondContact O-N 3.44Å; P62-M65 HydrophobicContact CG-SD 4.38Å; P62-M65 PolarHBondContact O-N 2.98Å; P62-M65 VanDerWaalsContact O-N 3.13Å |
| 63 | A | 97.2 | Very high | 98.3 | Very high | 109 Ų | 109 | 51.3 Ų | 51.3 | 90% | 0.901 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 137.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 64 | G | 97.1 | Very high | 98.3 | Very high | 71 Ų | 71 | 55 Ų | 55 | 73% | 0.732 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | 3.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P62 R103 | P62-G64 PolarHBondContact O-N 3.44Å; G64-R103 WeakPolarHBondContact O-CB 3.43Å |
| 65 | M | 98.1 | Very high | 98.2 | Very high | 34 Ų | 34 | 56 Ų | 56 | 17% | 0.167 | 37% | 0.373 | C | S | . | . | trans | -117 | 149.5 | 167.3 | -65.3 | -175 | 170.4 | 0 | 0 | 110.6 | T50 C61 P62 C101 C102 R103 | T50-M65 HydrophobicContact CG2-CE 4.27Å; T50-M65 HydrophobicContact CG2-SD 3.99Å; C61-M65 HydrophobicContact CB-CB 4.29Å; P62-M65 HydrophobicContact CG-SD 4.38Å; P62-M65 PolarHBondContact O-N 2.98Å; P62-M65 VanDerWaalsContact O-N 3.13Å; M65-C101 HydrophobicContact CB-CB 4.04Å; M65-C101 HydrophobicContact SD-CB 3.77Å; M65-C102 CarbonylContact C-O 3.54Å; M65-C102 WeakPolarHBondContact CA-O 3.44Å; M65-R103 HydrophobicContact CE-CG 4.06Å; M65-R103 HydrophobicContact CG-CB 4.09Å; M65-R103 HydrophobicContact CG-CG 4.21Å | ||
| 66 | V | 97.8 | Very high | 98.1 | Very high | 91 Ų | 91 | 51.6 Ų | 51.6 | 55% | 0.552 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 143.4 | 175.4 | -61.1 | 0 | 0 | 0 | 0 | 110.2 | T68 C101 C102 | V66-T68 HydrophobicContact CG2-CG2 4.15Å; V66-T68 PolarHBondContact O-N 2.83Å; V66-C101 WeakPolarHBondContact O-CA 3.3Å; V66-C102 WeakPolarHBondContact CG2-O 3.17Å; V66-C102 PolarHBondContact N-O 3.34Å; V66-C102 PolarHBondContact O-N 3.2Å |
| 67 | V | 98.7 | Very high | 98.2 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 10% | 0.097 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 119.6 | 170.4 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | C61 I81 N85 C87 A99 R100 | C61-V67 HydrophobicContact CB-CG2 4.16Å; C61-V67 WeakPolarHBondContact SG-CG2 3.36Å; V67-I81 HydrophobicContact CB-CD1 4.02Å; V67-I81 HydrophobicContact CB-CG1 4.45Å; V67-I81 HydrophobicContact CB-CG2 4.24Å; V67-I81 HydrophobicContact CG1-CD1 3.59Å; V67-I81 HydrophobicContact CG1-CG1 3.87Å; V67-I81 HydrophobicContact CG1-CG2 4.49Å; V67-I81 HydrophobicContact CG2-CG2 4.43Å; V67-N85 VanDerWaalsContact CG2-O 3.28Å; V67-N85 WeakPolarHBondContact CG2-O 3.31Å; V67-C87 WeakPolarHBondContact CG1-SG 3.28Å; V67-A99 HydrophobicContact CG2-CB 4.46Å; V67-R100 CarbonylContact C-O 3.5Å; V67-R100 WeakPolarHBondContact CA-O 3.4Å |
| 68 | T | 98.1 | Very high | 98.2 | Very high | 82 Ų | 82 | 52 Ų | 52 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -14.5 | 176.1 | 56.8 | 0 | 0 | 0 | 0 | 113.2 | V66 R100 C102 | V66-T68 HydrophobicContact CG2-CG2 4.15Å; V66-T68 PolarHBondContact O-N 2.83Å; T68-R100 PolarHBondContact N-O 3.4Å; T68-R100 WeakPolarHBondContact OG1-CG 3.38Å; T68-R100 PolarHBondContact OG1-O 2.92Å; T68-C102 HydrophobicContact CG2-CB 3.74Å; T68-C102 VanDerWaalsContact CG2-SG 3.57Å; T68-C102 PolarHBondContact OG1-SG 2.8Å |
| 69 | G | 98.4 | Very high | 98.2 | Very high | 16 Ų | 16 | 53.1 Ų | 53.1 | 17% | 0.165 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.4 | 165.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R100 | G69-R100 PolarHBondContact O-N 2.95Å |
| 70 | C | 98.7 | Very high | 98.2 | Very high | 17 Ų | 17 | 55.2 Ų | 55.2 | 12% | 0.115 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 151 | 178.2 | -50.2 | 0 | 0 | 0 | 0 | 110.5 | W79 C87 S98 | C70-W79 HydrophobicContact CB-CB 4.05Å; C70-W79 HydrophobicContact CB-CD2 3.51Å; C70-W79 HydrophobicContact CB-CE3 3.73Å; C70-W79 HydrophobicContact CB-CG 3.64Å; C70-W79 HydrophobicContact CB-CZ3 4.37Å; C70-W79 PolarHBondContact O-NE1 2.88Å; C70-W79 VanDerWaalsContact SG-CE3 3.56Å; C70-C87 VanDerWaalsContact CA-SG 3.51Å; C70-C87 HydrophobicContact CB-CB 3.67Å; C70-C87 WeakPolarHBondContact CB-SG 3.45Å; C70-C87 VanDerWaalsContact SG-CA 3.56Å; C70-C87 WeakPolarHBondContact SG-CB 3.49Å; C70-C87 CovalentContact SG-SG 2.02Å; C70-C87 PolarHBondContact SG-SG 2.9Å; C70-S98 CarbonylContact C-O 3.56Å; C70-S98 VanDerWaalsContact CA-O 3.28Å; C70-S98 WeakPolarHBondContact CA-O 3.31Å |
| 71 | A | 98.7 | Very high | 98.1 | Very high | 45 Ų | 45 | 55.9 Ų | 55.9 | 37% | 0.372 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 147.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | W96 S98 | A71-W96 HydrophobicContact CB-CH2 4.24Å; A71-W96 HydrophobicContact CB-CZ3 4.1Å; A71-S98 PolarHBondContact N-O 3.31Å; A71-S98 PolarHBondContact O-N 2.96Å |
| 72 | C | 98.7 | Very high | 98.1 | Very high | 11 Ų | 11 | 61 Ų | 61 | 7% | 0.074 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 147.2 | -177.4 | -56.6 | 0 | 0 | 0 | 0 | 108.1 | C76 C89 M94 | C72-C76 HydrophobicContact CB-CB 3.73Å; C72-C76 VanDerWaalsContact CB-O 3.32Å; C72-C76 WeakPolarHBondContact CB-O 3.48Å; C72-C89 VanDerWaalsContact CA-SG 3.59Å; C72-C89 HydrophobicContact CB-CB 3.74Å; C72-C89 WeakPolarHBondContact CB-SG 3.36Å; C72-C89 WeakPolarHBondContact SG-CB 3.37Å; C72-C89 CovalentContact SG-SG 2.02Å; C72-C89 PolarHBondContact SG-SG 2.93Å; C72-M94 HydrophobicContact CB-CE 4.03Å; C72-M94 HydrophobicContact CB-SD 3.7Å |
| 73 | G | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 65.2 Ų | 65.2 | 3% | 0.031 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -71.2 | -179.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G75 C76 D95 W96 | G73-G75 PolarHBondContact O-N 2.77Å; G73-C76 WeakPolarHBondContact O-CB 3.35Å; G73-C76 PolarHBondContact O-N 2.82Å; G73-D95 WeakPolarHBondContact CA-OD1 3.43Å; G73-W96 VanDerWaalsContact CA-CE2 3.45Å; G73-W96 PolarHBondContact N-O 3.49Å |
| 74 | Y | 97.4 | Very high | 97.9 | Very high | 163 Ų | 163 | 62.8 Ų | 62.8 | 64% | 0.639 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | 50.9 | 21.2 | -168.1 | -62.7 | -77.9 | 0 | 0 | 0 | 115.5 | C76 V93 D95 | Y74-C76 PolarHBondContact O-N 2.86Å; Y74-V93 HydrophobicContact CD2-CG1 4.33Å; Y74-V93 HydrophobicContact CE2-CG1 3.83Å; Y74-D95 HydrophobicContact CD2-CB 4.22Å; Y74-D95 VanDerWaalsContact CD2-OD1 3.29Å; Y74-D95 WeakPolarHBondContact CD2-OD1 3.48Å; Y74-D95 HydrophobicContact CE2-CB 3.51Å; Y74-D95 VanDerWaalsContact CE2-CG 3.4Å; Y74-D95 WeakPolarHBondContact CE2-OD1 3.29Å |
| 75 | G | 96.7 | Very high | 97.9 | Very high | 78 Ų | 78 | 62.3 Ų | 62.3 | 80% | 0.804 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | 66.1 | 21.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G73 G77 | G73-G75 PolarHBondContact O-N 2.77Å; G75-G77 PolarHBondContact O-N 2.84Å; G75-G77 VanDerWaalsContact O-N 3.15Å |
| 76 | C | 98.1 | Very high | 97.9 | Very high | 11 Ų | 11 | 61.4 Ų | 61.4 | 7% | 0.074 | 37% | 0.373 | C | S | . | . | trans | -67.5 | 112 | 179.5 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | C72 G73 Y74 S78 C91 M94 | C72-C76 HydrophobicContact CB-CB 3.73Å; C72-C76 VanDerWaalsContact CB-O 3.32Å; C72-C76 WeakPolarHBondContact CB-O 3.48Å; G73-C76 WeakPolarHBondContact O-CB 3.35Å; G73-C76 PolarHBondContact O-N 2.82Å; Y74-C76 PolarHBondContact O-N 2.86Å; C76-S78 VanDerWaalsContact C-N 3.34Å; C76-S78 PolarHBondContact SG-O 2.94Å; C76-C91 HydrophobicContact CB-CB 3.74Å; C76-C91 WeakPolarHBondContact CB-SG 3.32Å; C76-C91 WeakPolarHBondContact SG-CB 3.46Å; C76-C91 CovalentContact SG-SG 2.02Å; C76-C91 PolarHBondContact SG-SG 3.13Å; C76-M94 HydrophobicContact CB-CE 3.58Å | ||
| 77 | G | 98.2 | Very high | 98 | Very high | 64 Ų | 64 | 57.1 Ų | 57.1 | 66% | 0.66 | 35% | 0.347 | S | S | * | . | trans | -84.2 | -4.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G75 | G75-G77 PolarHBondContact O-N 2.84Å; G75-G77 VanDerWaalsContact O-N 3.15Å | ||
| 78 | S | 98.4 | Very high | 98 | Very high | 66 Ų | 66 | 57.5 Ų | 57.5 | 46% | 0.462 | 35% | 0.347 | S | S | . | . | trans | -96.7 | 104.8 | -175.6 | -56 | 0 | 0 | 0 | 0 | 111.2 | C76 Q90 | C76-S78 VanDerWaalsContact C-N 3.34Å; C76-S78 PolarHBondContact SG-O 2.94Å; S78-Q90 WeakPolarHBondContact O-CB 3.37Å; S78-Q90 PolarHBondContact O-N 3.43Å | ||
| 79 | W | 98.6 | Very high | 98 | Very high | 105 Ų | 105 | 53.6 Ų | 53.6 | 40% | 0.398 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 155.6 | 178.5 | 48.8 | -99.5 | 0 | 0 | 0 | 112 | C70 I81 H88 | C70-W79 HydrophobicContact CB-CB 4.05Å; C70-W79 HydrophobicContact CB-CD2 3.51Å; C70-W79 HydrophobicContact CB-CE3 3.73Å; C70-W79 HydrophobicContact CB-CG 3.64Å; C70-W79 HydrophobicContact CB-CZ3 4.37Å; C70-W79 PolarHBondContact O-NE1 2.88Å; C70-W79 VanDerWaalsContact SG-CE3 3.56Å; W79-I81 HydrophobicContact CZ3-CG1 4.49Å; W79-H88 CarbonylContact C-O 3.55Å; W79-H88 WeakPolarHBondContact CA-O 3.35Å; W79-H88 WeakPolarHBondContact CB-O 3.01Å |
| 80 | D | 98.7 | Very high | 98 | Very high | 45 Ų | 45 | 57.4 Ų | 57.4 | 24% | 0.241 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 162.6 | 171 | 61.7 | -80.9 | 0 | 0 | 0 | 111.2 | R82 H88 Q90 | D80-R82 WeakPolarHBondContact OD2-CG 2.96Å; D80-R82 IonicContact OD2-NE 3.2Å; D80-R82 PolarHBondContact OD2-NE 3.13Å; D80-H88 PolarHBondContact N-O 2.02Å; D80-H88 PolarHBondContact O-N 2.87Å; D80-H88 IonicContact OD1-CE1 3.79Å; D80-H88 IonicContact OD1-CG 3.62Å; D80-H88 IonicContact OD1-ND1 2.75Å; D80-H88 PolarHBondContact OD1-ND1 3.11Å; D80-H88 IonicContact OD2-ND1 3.77Å; D80-Q90 WeakPolarHBondContact OD1-CG 3.39Å; D80-Q90 PolarHBondContact OD1-NE2 2.81Å |
| 81 | I | 98.6 | Very high | 98 | Very high | 72 Ų | 72 | 58.5 Ų | 58.5 | 37% | 0.369 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 118.9 | 172.9 | -59.2 | 172 | 0 | 0 | 0 | 108.3 | V67 W79 T86 | V67-I81 HydrophobicContact CB-CD1 4.02Å; V67-I81 HydrophobicContact CB-CG1 4.45Å; V67-I81 HydrophobicContact CB-CG2 4.24Å; V67-I81 HydrophobicContact CG1-CD1 3.59Å; V67-I81 HydrophobicContact CG1-CG1 3.87Å; V67-I81 HydrophobicContact CG1-CG2 4.49Å; V67-I81 HydrophobicContact CG2-CG2 4.43Å; W79-I81 HydrophobicContact CZ3-CG1 4.49Å; I81-T86 CarbonylContact C-O 3.55Å; I81-T86 WeakPolarHBondContact CA-O 3.29Å |
| 82 | R | 98 | Very high | 97.9 | Very high | 115 Ų | 115 | 61.6 Ų | 61.6 | 43% | 0.434 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 142.2 | 176.6 | -61.5 | -171.7 | 175.1 | -170.7 | -4.5 | 110.9 | D80 G84 N85 T86 H88 | D80-R82 WeakPolarHBondContact OD2-CG 2.96Å; D80-R82 IonicContact OD2-NE 3.2Å; D80-R82 PolarHBondContact OD2-NE 3.13Å; R82-G84 PolarHBondContact O-N 3.44Å; R82-N85 PolarHBondContact O-N 2.85Å; R82-N85 VanDerWaalsContact O-N 3.11Å; R82-N85 PolarHBondContact O-OD1 2.83Å; R82-T86 PolarHBondContact N-O 3.04Å; R82-T86 PolarHBondContact O-N 3.48Å; R82-H88 HydrophobicContact CG-CB 4.06Å; R82-H88 PolarHBondContact NE-ND1 3.11Å; R82-H88 PolarHBondContact NH2-CE1 3.01Å; R82-H88 PolarHBondContact NH2-ND1 3.15Å; R82-H88 VanDerWaalsContact NH2-ND1 3.18Å |
| 83 | N | 95.7 | Very high | 97.7 | Very high | 156 Ų | 156 | 65.2 Ų | 65.2 | 83% | 0.834 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 23.5 | 176.9 | -54.6 | -34.3 | 0 | 0 | 0 | 113.9 | N85 | N83-N85 PolarHBondContact O-N 3.4Å; N83-N85 VanDerWaalsContact O-N 3.11Å |
| 84 | G | 94.4 | Very high | 97.7 | Very high | 57 Ų | 57 | 66.2 Ų | 66.2 | 59% | 0.588 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 0.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116 | R82 | R82-G84 PolarHBondContact O-N 3.44Š|
| 85 | N | 97.8 | Very high | 97.7 | Very high | 62 Ų | 62 | 61.4 Ų | 61.4 | 33% | 0.332 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.5 | -5 | -171.6 | 76 | -11.7 | 0 | 0 | 0 | 115.5 | S60 C61 V67 R82 N83 | S60-N85 WeakPolarHBondContact CA-O 3.48Å; C61-N85 PolarHBondContact N-O 2.04Å; V67-N85 VanDerWaalsContact CG2-O 3.28Å; V67-N85 WeakPolarHBondContact CG2-O 3.31Å; R82-N85 PolarHBondContact O-N 2.85Å; R82-N85 VanDerWaalsContact O-N 3.11Å; R82-N85 PolarHBondContact O-OD1 2.83Å; N83-N85 PolarHBondContact O-N 3.4Å; N83-N85 VanDerWaalsContact O-N 3.11Å |
| 86 | T | 98.7 | Very high | 97.8 | Very high | 15 Ų | 15 | 62.2 Ų | 62.2 | 9% | 0.092 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 119.5 | -172.3 | -60.2 | 0 | 0 | 0 | 0 | 110.9 | L58 A59 S60 I81 R82 | L58-T86 HydrophobicContact CB-CG2 4.26Å; L58-T86 HydrophobicContact CD2-CG2 4.03Å; A59-T86 CarbonylContact O-C 3.55Å; A59-T86 WeakPolarHBondContact O-CA 3.29Å; S60-T86 WeakPolarHBondContact CB-OG1 2.99Å; S60-T86 WeakPolarHBondContact OG-CB 3.28Å; S60-T86 VanDerWaalsContact OG-CG2 3.28Å; S60-T86 WeakPolarHBondContact OG-CG2 3.48Å; S60-T86 PolarHBondContact OG-OG1 2.76Å; I81-T86 CarbonylContact C-O 3.55Å; I81-T86 WeakPolarHBondContact CA-O 3.29Å; R82-T86 PolarHBondContact N-O 3.04Å; R82-T86 PolarHBondContact O-N 3.48Å |
| 87 | C | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 134.1 | 166.9 | -75.2 | 0 | 0 | 0 | 0 | 110.5 | L58 A59 V67 C70 A99 | L58-C87 VanDerWaalsContact CA-O 3.3Å; L58-C87 WeakPolarHBondContact CA-O 3.33Å; A59-C87 PolarHBondContact N-O 3.33Å; A59-C87 PolarHBondContact O-N 2.02Å; V67-C87 WeakPolarHBondContact CG1-SG 3.28Å; C70-C87 VanDerWaalsContact CA-SG 3.51Å; C70-C87 HydrophobicContact CB-CB 3.67Å; C70-C87 WeakPolarHBondContact CB-SG 3.45Å; C70-C87 VanDerWaalsContact SG-CA 3.56Å; C70-C87 WeakPolarHBondContact SG-CB 3.49Å; C70-C87 CovalentContact SG-SG 2.02Å; C70-C87 PolarHBondContact SG-SG 2.9Å; C87-A99 HydrophobicContact CB-CB 4.08Å; C87-A99 VanDerWaalsContact SG-CA 3.54Å; C87-A99 VanDerWaalsContact SG-CB 3.5Å |
| 88 | H | 98.8 | Very high | 97.8 | Very high | 24 Ų | 24 | 59.2 Ų | 59.2 | 11% | 0.111 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 115.3 | 173.1 | 171.3 | -108.3 | 0 | 0 | 0 | 110.5 | R57 L58 W79 D80 R82 | R57-H88 CarbonylContact O-C 3.56Å; R57-H88 WeakPolarHBondContact O-CA 3.48Å; L58-H88 HydrophobicContact CD2-CB 3.74Å; W79-H88 CarbonylContact C-O 3.55Å; W79-H88 WeakPolarHBondContact CA-O 3.35Å; W79-H88 WeakPolarHBondContact CB-O 3.01Å; D80-H88 PolarHBondContact N-O 2.02Å; D80-H88 PolarHBondContact O-N 2.87Å; D80-H88 IonicContact OD1-CE1 3.79Å; D80-H88 IonicContact OD1-CG 3.62Å; D80-H88 IonicContact OD1-ND1 2.75Å; D80-H88 PolarHBondContact OD1-ND1 3.11Å; D80-H88 IonicContact OD2-ND1 3.77Å; R82-H88 HydrophobicContact CG-CB 4.06Å; R82-H88 PolarHBondContact NE-ND1 3.11Å; R82-H88 PolarHBondContact NH2-CE1 3.01Å; R82-H88 PolarHBondContact NH2-ND1 3.15Å; R82-H88 VanDerWaalsContact NH2-ND1 3.18Å |
| 89 | C | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 126.5 | 177.5 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | R57 C72 M94 A97 | R57-C89 PolarHBondContact NH1-O 3.31Å; R57-C89 PolarHBondContact O-N 3.05Å; C72-C89 VanDerWaalsContact CA-SG 3.59Å; C72-C89 HydrophobicContact CB-CB 3.74Å; C72-C89 WeakPolarHBondContact CB-SG 3.36Å; C72-C89 WeakPolarHBondContact SG-CB 3.37Å; C72-C89 CovalentContact SG-SG 2.02Å; C72-C89 PolarHBondContact SG-SG 2.93Å; C89-M94 HydrophobicContact CB-CE 3.51Å; C89-M94 HydrophobicContact CB-CG 3.96Å; C89-M94 HydrophobicContact CB-SD 3.76Å; C89-A97 HydrophobicContact CB-CB 4.45Å; C89-A97 WeakPolarHBondContact SG-CB 3.45Å |
| 90 | Q | 98.4 | Very high | 97.8 | Very high | 96 Ų | 96 | 56 Ų | 56 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | trans | -96.9 | -19.2 | -163.6 | -62.8 | 177.9 | 11.2 | 0 | 0 | 114.8 | R57 S78 D80 | R57-Q90 PolarHBondContact NH1-O 2.02Å; S78-Q90 WeakPolarHBondContact O-CB 3.37Å; S78-Q90 PolarHBondContact O-N 3.43Å; D80-Q90 WeakPolarHBondContact OD1-CG 3.39Å; D80-Q90 PolarHBondContact OD1-NE2 2.81Å | ||
| 91 | C | 97.8 | Very high | 97.8 | Very high | 40 Ų | 40 | 53.9 Ų | 53.9 | 27% | 0.27 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -59.6 | 161.2 | -175.2 | -60.4 | 0 | 0 | 0 | 0 | 113.4 | R57 C76 V93 M94 | R57-C91 PolarHBondContact NH1-O 2.78Å; R57-C91 PolarHBondContact NH2-O 2.75Å; C76-C91 HydrophobicContact CB-CB 3.74Å; C76-C91 WeakPolarHBondContact CB-SG 3.32Å; C76-C91 WeakPolarHBondContact SG-CB 3.46Å; C76-C91 CovalentContact SG-SG 2.02Å; C76-C91 PolarHBondContact SG-SG 3.13Å; C91-V93 VanDerWaalsContact C-N 3.34Å; C91-V93 PolarHBondContact O-N 2.87Å; C91-M94 HydrophobicContact CB-CE 3.92Å |
| 92 | S | 96.6 | Very high | 97.8 | Very high | 111 Ų | 111 | 51 Ų | 51 | 78% | 0.776 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -60 | -38.5 | -173 | 51.8 | 0 | 0 | 0 | 0 | 113.9 | R57 | R57-S92 PolarHBondContact NH2-O 2.93Š|
| 93 | V | 95.9 | Very high | 97.8 | Very high | 86 Ų | 86 | 51.8 Ų | 51.8 | 52% | 0.521 | 28% | 0.278 | S | S | . | . | trans | -120.7 | 135.4 | 177 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | Y74 C91 | Y74-V93 HydrophobicContact CD2-CG1 4.33Å; Y74-V93 HydrophobicContact CE2-CG1 3.83Å; C91-V93 VanDerWaalsContact C-N 3.34Å; C91-V93 PolarHBondContact O-N 2.87Å | ||
| 94 | M | 97.2 | Very high | 97.9 | Very high | 25 Ų | 25 | 49.7 Ų | 49.7 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | trans | -142.3 | 122.7 | 178 | -161 | 60.8 | 49.5 | 0 | 0 | 110.5 | G56 R57 C72 C76 C89 C91 | G56-M94 VanDerWaalsContact O-CG 3.26Å; G56-M94 WeakPolarHBondContact O-CG 3.44Å; R57-M94 HydrophobicContact CG-CB 3.7Å; R57-M94 HydrophobicContact CG-CG 4.15Å; C72-M94 HydrophobicContact CB-CE 4.03Å; C72-M94 HydrophobicContact CB-SD 3.7Å; C76-M94 HydrophobicContact CB-CE 3.58Å; C89-M94 HydrophobicContact CB-CE 3.51Å; C89-M94 HydrophobicContact CB-CG 3.96Å; C89-M94 HydrophobicContact CB-SD 3.76Å; C91-M94 HydrophobicContact CB-CE 3.92Å | ||
| 95 | D | 97.2 | Very high | 97.8 | Very high | 61 Ų | 61 | 50.6 Ų | 50.6 | 33% | 0.326 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -82.7 | -50.8 | 171.5 | 50.2 | -13.3 | 0 | 0 | 0 | 110.3 | G56 G73 Y74 | G56-D95 PolarHBondContact N-O 3.07Å; G73-D95 WeakPolarHBondContact CA-OD1 3.43Å; Y74-D95 HydrophobicContact CD2-CB 4.22Å; Y74-D95 VanDerWaalsContact CD2-OD1 3.29Å; Y74-D95 WeakPolarHBondContact CD2-OD1 3.48Å; Y74-D95 HydrophobicContact CE2-CB 3.51Å; Y74-D95 VanDerWaalsContact CE2-CG 3.4Å; Y74-D95 WeakPolarHBondContact CE2-OD1 3.29Å |
| 96 | W | 98.6 | Very high | 97.8 | Very high | 95 Ų | 95 | 50.1 Ų | 50.1 | 36% | 0.36 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 157.1 | -179.4 | 61.5 | -92.2 | 0 | 0 | 0 | 113 | T53 S54 G56 A71 G73 | T53-W96 HydrophobicContact CG2-CB 4.33Å; T53-W96 HydrophobicContact CG2-CD2 4.35Å; T53-W96 HydrophobicContact CG2-CE3 3.91Å; S54-W96 WeakPolarHBondContact O-CA 3.11Å; G56-W96 CarbonylContact O-C 3.15Å; G56-W96 WeakPolarHBondContact O-CA 2.99Å; A71-W96 HydrophobicContact CB-CH2 4.24Å; A71-W96 HydrophobicContact CB-CZ3 4.1Å; G73-W96 VanDerWaalsContact CA-CE2 3.45Å; G73-W96 PolarHBondContact N-O 3.49Å |
| 97 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 150 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | T53 S54 G56 A59 C89 | T53-A97 WeakPolarHBondContact CA-O 3.48Å; T53-A97 WeakPolarHBondContact CG2-O 3.23Å; S54-A97 PolarHBondContact N-O 3.49Å; S54-A97 PolarHBondContact O-N 2.73Å; G56-A97 PolarHBondContact O-N 3Å; G56-A97 VanDerWaalsContact O-N 3.13Å; A59-A97 HydrophobicContact CB-CB 4.05Å; A59-A97 WeakPolarHBondContact CB-O 2.99Å; C89-A97 HydrophobicContact CB-CB 4.45Å; C89-A97 WeakPolarHBondContact SG-CB 3.45Å |
| 98 | S | 98.8 | Very high | 97.7 | Very high | 12 Ų | 12 | 54.8 Ų | 54.8 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 131.1 | 176.9 | -172.2 | 0 | 0 | 0 | 0 | 110.6 | V52 T53 C70 A71 | V52-S98 CarbonylContact O-C 3.53Å; V52-S98 VanDerWaalsContact O-CA 3.29Å; V52-S98 WeakPolarHBondContact O-CA 2.98Å; V52-S98 PolarHBondContact O-OG 2.02Å; T53-S98 PolarHBondContact OG1-OG 3.42Å; T53-S98 VanDerWaalsContact OG1-OG 3.04Å; C70-S98 CarbonylContact C-O 3.56Å; C70-S98 VanDerWaalsContact CA-O 3.28Å; C70-S98 WeakPolarHBondContact CA-O 3.31Å; A71-S98 PolarHBondContact N-O 3.31Å; A71-S98 PolarHBondContact O-N 2.96Å |
| 99 | A | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 132.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S51 V52 A59 V67 C87 | S51-A99 CarbonylContact C-O 3.58Å; S51-A99 VanDerWaalsContact CA-O 3.31Å; S51-A99 WeakPolarHBondContact CA-O 3.37Å; V52-A99 PolarHBondContact N-O 2.73Å; V52-A99 PolarHBondContact O-N 2.87Å; A59-A99 HydrophobicContact CB-CB 4.1Å; A59-A99 WeakPolarHBondContact O-CB 3.38Å; V67-A99 HydrophobicContact CG2-CB 4.46Å; C87-A99 HydrophobicContact CB-CB 4.08Å; C87-A99 VanDerWaalsContact SG-CA 3.54Å; C87-A99 VanDerWaalsContact SG-CB 3.5Å |
| 100 | R | 98.8 | Very high | 97.6 | Very high | 105 Ų | 105 | 60.1 Ų | 60.1 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 117.2 | 167.8 | -169.8 | 66.4 | 176.9 | 164 | 2.8 | 108.4 | C49 S51 V67 T68 G69 | C49-R100 PolarHBondContact O-NH2 3.1Å; S51-R100 VanDerWaalsContact OG-CD 3.31Å; S51-R100 WeakPolarHBondContact OG-CD 3.07Å; S51-R100 PolarHBondContact OG-NH1 2.85Å; V67-R100 CarbonylContact C-O 3.5Å; V67-R100 WeakPolarHBondContact CA-O 3.4Å; T68-R100 PolarHBondContact N-O 3.4Å; T68-R100 WeakPolarHBondContact OG1-CG 3.38Å; T68-R100 PolarHBondContact OG1-O 2.92Å; G69-R100 PolarHBondContact O-N 2.95Å |
| 101 | C | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 121.3 | -171 | -53.6 | 0 | 0 | 0 | 0 | 110 | C49 T50 C61 M65 V66 | C49-C101 CarbonylContact C-O 3.56Å; C49-C101 VanDerWaalsContact CA-O 3.23Å; C49-C101 WeakPolarHBondContact CA-O 3.48Å; T50-C101 HydrophobicContact CG2-CB 4.2Å; T50-C101 PolarHBondContact N-O 3.18Å; T50-C101 PolarHBondContact O-N 2.75Å; T50-C101 VanDerWaalsContact O-O 3.14Å; C61-C101 WeakPolarHBondContact CA-SG 3.5Å; C61-C101 HydrophobicContact CB-CB 3.72Å; C61-C101 WeakPolarHBondContact CB-SG 3Å; C61-C101 WeakPolarHBondContact SG-CA 3.32Å; C61-C101 WeakPolarHBondContact SG-CB 3.28Å; C61-C101 CovalentContact SG-SG 2.02Å; C61-C101 PolarHBondContact SG-SG 3.47Å; M65-C101 HydrophobicContact CB-CB 4.04Å; M65-C101 HydrophobicContact SD-CB 3.77Å; V66-C101 WeakPolarHBondContact O-CA 3.3Å |
| 102 | C | 98.5 | Very high | 97.5 | Very high | 10 Ų | 10 | 59 Ų | 59 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 153.6 | -179.4 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | I47 S48 C49 M65 V66 T68 | I47-C102 HydrophobicContact CG2-CB 4.25Å; S48-C102 CarbonylContact O-C 3.54Å; S48-C102 VanDerWaalsContact O-CA 3.29Å; S48-C102 WeakPolarHBondContact O-CA 3Å; C49-C102 HydrophobicContact CB-CB 4.14Å; C49-C102 WeakPolarHBondContact CB-SG 3.26Å; C49-C102 WeakPolarHBondContact SG-CB 3.4Å; C49-C102 CovalentContact SG-SG 2.04Å; C49-C102 PolarHBondContact SG-SG 2.87Å; M65-C102 CarbonylContact C-O 3.54Å; M65-C102 WeakPolarHBondContact CA-O 3.44Å; V66-C102 WeakPolarHBondContact CG2-O 3.17Å; V66-C102 PolarHBondContact N-O 3.34Å; V66-C102 PolarHBondContact O-N 3.2Å; T68-C102 HydrophobicContact CG2-CB 3.74Å; T68-C102 VanDerWaalsContact CG2-SG 3.57Å; T68-C102 PolarHBondContact OG1-SG 2.8Å |
| 103 | R | 98.1 | Very high | 97.6 | Very high | 133 Ų | 133 | 55 Ų | 55 | 50% | 0.502 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 164.6 | 169.7 | 65.1 | 177.6 | -177.5 | 179.1 | 2.4 | 110.8 | S48 G64 M65 | S48-R103 PolarHBondContact N-O 2.79Å; S48-R103 PolarHBondContact O-N 2.84Å; G64-R103 WeakPolarHBondContact O-CB 3.43Å; M65-R103 HydrophobicContact CE-CG 4.06Å; M65-R103 HydrophobicContact CG-CB 4.09Å; M65-R103 HydrophobicContact CG-CG 4.21Å |
| 104 | M | 97.4 | Very high | 97.8 | Very high | 111 Ų | 111 | 52.4 Ų | 52.4 | 55% | 0.547 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 127.8 | 163.1 | -61 | -59.4 | -67.3 | 0 | 0 | 109 | K45 T46 I47 | K45-M104 HydrophobicContact CB-CE 3.8Å; K45-M104 HydrophobicContact CD-CB 4.42Å; T46-M104 CarbonylContact O-C 3.54Å; T46-M104 WeakPolarHBondContact O-CA 3.32Å; I47-M104 HydrophobicContact CG1-SD 3.74Å |
| 105 | A | 92.4 | Very high | 97.8 | Very high | 77 Ų | 77 | 54.9 Ų | 54.9 | 64% | 0.636 | 27% | 0.265 | S | S | * | . | trans | -122 | 0 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | K45 T46 | K45-A105 CarbonylContact C-O 3.56Å; K45-A105 WeakPolarHBondContact CA-O 3.12Å; T46-A105 PolarHBondContact N-O 3.31Å; T46-A105 PolarHBondContact O-N 2.85Å; T46-A105 PolarHBondContact OG1-O 3.48Å |
Retrieved 105 of 105 residues in 327.4 ms
(Link to these results)